Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 6/20 | 0.41 |
| ▸ | PDE4A | P27815 | 1/20 | 0.39 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.39 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.39 |
| ▸ | MAPK10 | P53779 | 3/20 | 0.36 |
| ▸ | APP | P05067 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | COL1A1 | P02452 | 1/20 | 0.35 |
| ▸ | HTR7 | P34969 | 1/20 | 0.34 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.34 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4103285 | 0.99 | ACHE (0.41) | ACHEPDE4AGPR84PDE10AMAPK10 | |
| SCHEMBL4829233 | 0.90 | MAPK10 (0.47) | ACHEPDE4AGPR84PDE10AMAPK10 | |
| Hydrochloric Acid SCHEMBL4097786 | 0.90 | ACHE (0.41) | ACHEPDE4AGPR84BCHEALDH1A1 | |
| Hydrochloric Acid SCHEMBL4109078 | 0.89 | MAPK10 (0.46) | ACHEPDE4AGPR84PDE10AMAPK10 | |
| SCHEMBL4792771 | 0.88 | ACHE (0.40) | ACHEPDE4AGPR84BCHEALDH1A1 | |
| Hydrochloric Acid SCHEMBL4114604 | 0.87 | ACHE (0.40) | ACHEPDE4AGPR84BCHEALDH1A1 | |
| Hydrochloric Acid SCHEMBL4110986 | 0.86 | ACHE (0.42) | ACHEPDE4AGPR84BCHEALDH1A1 | |
| SCHEMBL4828302 | 0.86 | ACHE (0.45) | ACHEPDE4AGPR84BCHERAB9A | |
| SCHEMBL4762988 | 0.85 | ACHE (0.39) | ACHEPDE4AGPR84BCHEABCB1 | |
| Hydrochloric Acid SCHEMBL4098686 | 0.85 | ACHE (0.44) | ACHEPDE4AGPR84BCHERAB9A |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1896419-A1 | 3,4-DIHYDROISOQUINOLINIUM SALT DERIVATIVES | HANWHA CHEMICAL CORPORATION (KR) | 2008-03-12 | — | — | EP | disclosed |
| WO-2006129978-A1 | 3,4-DIHYDROISOQUINOLINIUM SALT DERIVATIVES | HANWHA CHEMICAL CORPORATION (KR) | 2006-12-07 | — | — | WO | disclosed |